Neural DAEs: Constrained neural networks

Tue Boesen, Eldad Haber, Uri M. Ascher

Keywords: neural networks, differential algebraic equations, constraints

TL;DR: We add constraints to neural networks

Abstract: In this article we investigate the effect of explicitly adding auxiliary trajectory information to neural networks for dynamical systems. We draw inspiration from the field of differential-algebraic equations and differential equations on manifolds and implement similar methods in residual neural networks. We discuss constraints through stabilization as well as projection methods, and show when to use which method based on experiments involving simulations of multi-body pendulums and molecular dynamics scenarios. Several of our methods are easy to implement in existing code and have limited impact on performance while giving significant boosts in terms of inference.

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Community Implementations: [ 1 code implementation](https://www.catalyzex.com/paper/arxiv:2211.14302/code)